(2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide

C18H22N4O2 — CID 126804864

IUPAC(2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide
SMILESO=C(NCc1cnc2n1CCCC2)[C@H]1CCO[C@@H]1c1cccnc1
InChIInChI=1S/C18H22N4O2/c23-18(15-6-9-24-17(15)13-4-3-7-19-10-13)21-12-14-11-20-16-5-1-2-8-22(14)16/h3-4,7,10-11,15,17H,1-2,5-6,8-9,12H2,(H,21,23)/t15-,17+/m0/s1
InChIKeyRRTPYCYYZSDKTH-DOTOQJQBSA-N
MW326.40 g/mol
LogP2.01
Rot. Bonds4

About (2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide

(2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide (PubChem CID 126804864) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide
PubChem CID126804864
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide
SMILESO=C(NCc1cnc2n1CCCC2)[C@H]1CCO[C@@H]1c1cccnc1
InChIInChI=1S/C18H22N4O2/c23-18(15-6-9-24-17(15)13-4-3-7-19-10-13)21-12-14-11-20-16-5-1-2-8-22(14)16/h3-4,7,10-11,15,17H,1-2,5-6,8-9,12H2,(H,21,23)/t15-,17+/m0/s1
InChIKeyRRTPYCYYZSDKTH-DOTOQJQBSA-N
XLogP2.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-2-pyridin-3-yloxolane-3-carboxamide
CID 136587140
1-(benzenesulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 138995797
(2S,3S)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-3-yloxolane-3-carboxamide
CID 167769258
(2S,3S)-N-(5-cyclopropyl-1H-imidazol-2-yl)-2-pyridin-3-yloxolane-3-carboxamide
CID 126810137
2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide
CID 167792308
5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 166225501
N-(pyridin-3-ylmethyl)-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide
CID 20912470
N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide
CID 127265241
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 166324188
N-[[7-(thiophen-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]cyclobutanecarboxamide
CID 97467204
8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid
CID 166267732
(2R,3R)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-2-phenyloxolane-3-carboxamide
CID 136586841

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide (CID 126804864) is (2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide is O=C(NCc1cnc2n1CCCC2)[C@H]1CCO[C@@H]1c1cccnc1.
What is the InChIKey of (2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide?
The InChIKey is RRTPYCYYZSDKTH-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(15-6-9-24-17(15)13-4-3-7-19-10-13)21-12-14-11-20-16-5-1-2-8-22(14)16/h3-4,7,10-11,15,17H,1-2,5-6,8-9,12H2,(H,21,23)/t15-,17+/m0/s1.
What are the key properties of (2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide?
(2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 126804864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).